SCHEMBL7799378

SCHEMBL7799378

CCOC(=O)N(CC)c1ccc(NCc2cccc(F)c2)nc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
ABCB11 O95342 1/20 0.49
ESR1 P03372 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
TBXA2R P21731 1/20 0.49
CASP1 P29466 1/20 0.49
CYP2C19 P33261 1/20 0.49
SHMT2 P34897 1/20 0.49
PTGS2 P35354 1/20 0.49
OPRK1 P41145 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10789244 0.80 KCNQ2 (0.77) MAPK1KCNQ3KCNQ2ABCB11ESR1
Hydrochloric Acid SCHEMBL10789576 0.79 KCNQ2 (0.75) MAPK1KCNQ3KCNQ2ABCB11ESR1
SCHEMBL15004064 0.76 KCNQ3 (0.65) MAPK1KCNQ3KCNQ2ABCB11ESR1
SCHEMBL4058596 0.75 KCNQ3 (0.56) MAPK1KCNQ3KCNQ2ABCB11ESR1
SCHEMBL10786426 0.74 CYP1A2 (0.48) MAPK1KCNQ3KCNQ2ABCB11ESR1
SCHEMBL29754395 0.70 KCNQ3 (0.71) MAPK1KCNQ3KCNQ2ABCB11ESR1
SCHEMBL20654851 0.70 KCNQ3 (0.71) MAPK1KCNQ3KCNQ2ABCB11ESR1
SCHEMBL20641763 0.67 KCNQ2 (0.66) MAPK1KCNQ3KCNQ2ABCB11ESR1
SCHEMBL11113207 0.67 KCNQ3 (0.70) MAPK1KCNQ3KCNQ2ABCB11ESR1
SCHEMBL20655142 0.67 CYP1A2 (0.66) MAPK1KCNQ3KCNQ2ABCB11ESR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716602-B1 THE PRIMARY AND SECONDARY NEUROPROTECTIVE EFFECT OF FLUPIRTINE IN NEURODEGENERATIVE DISEASES ASTA MEDICA AG (DE) 2001-12-12 EP disclosed
US-5721258-A Primary and secondary neuroprotective effect of flupirtine in neurodegenerative diseases ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1998-02-24 US disclosed
EP-0716602-A1 THE PRIMARY AND SECONDARY NEUROPROTECTIVE EFFECT OF FLUPIRTINE IN NEURODEGENERATIVE DISEASES ASTA Medica Aktiengesellschaft (DE) 1996-06-19 EP disclosed
WO-1995005175-A1 THE PRIMARY AND SECONDARY NEUROPROTECTIVE EFFECT OF FLUPIRTINE IN NEURODEGENERATIVE DISEASES ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1995-02-23 WO disclosed